10-Phenyl-[11]-cytochalasan B
AlkaPlorer ID: AK050519
Synonym: '', 'Cytochalasin II'
IUPAC Name: (1R,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23C(=O)CC[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-12,17-18,21-22,24-25,31,33H,3,9,13-16H2,1-2,4H3,(H,29,32)/b12-8+/t17-,18+,21-,22-,24-,25+,27+,28+/m0/s1
InChIKey: NJKNOVMUCDFVLS-KKOPAYBFSA-N
Reference
Concentricol, a taxonomically significant triterpenoid from Daldinia concentrica
PubChem CID: 15223847
LOTUS: LTS0140134
SuperNatural Ⅲ: SN0247204-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daldinia concentrica | Daldinia | Hypoxylaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 451.60700000000026
TPSA？: 86.63000000000001
MolLogP？: 3.599500000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|